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1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(oxolan-2-ylmethoxy)ethan-1-one

ChemBase ID: 370771
Molecular Formular: C19H26N2O5
Molecular Mass: 362.42014
Monoisotopic Mass: 362.18417194
SMILES and InChIs

SMILES:
C(=O)(c1c(OC)cccc1)N1CCN(C(=O)COCC2OCCC2)CC1
Canonical SMILES:
COc1ccccc1C(=O)N1CCN(CC1)C(=O)COCC1CCCO1
InChI:
InChI=1S/C19H26N2O5/c1-24-17-7-3-2-6-16(17)19(23)21-10-8-20(9-11-21)18(22)14-25-13-15-5-4-12-26-15/h2-3,6-7,15H,4-5,8-14H2,1H3
InChIKey:
JNPVKGYYIPKGDR-UHFFFAOYSA-N

Cite this record

CBID:370771 http://www.chembase.cn/molecule-370771.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(oxolan-2-ylmethoxy)ethan-1-one
IUPAC Traditional name
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone
Synonyms
1-(2-methoxybenzoyl)-4-[(tetrahydro-2-furanylmethoxy)acetyl]piperazine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 19.795332  H Acceptors
H Donor LogD (pH = 5.5) 0.43204832 
LogD (pH = 7.4) 0.43204838  Log P 0.43204838 
Molar Refractivity 96.4224 cm3 Polarizability 37.127785 Å3
Polar Surface Area 68.31 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.02  LOG S -3.17 
Polar Surface Area 68.31 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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